CID 11767879

C32H59NOSi4Ta — CID 11767879

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N=[Ta].C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.[C-]#[O+]
InChIInChI=1S/C12H17N.C10H15.C9H27Si4.CO.Ta/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-6-7(2)9(4)10(5)8(6)3;1-11(2,3)10(12(4,5)6)13(7,8)9;1-2;/h5-9H,1-4H3;1-5H3;1-9H3;;
InChIKeySIDXHOYCCNTNHU-UHFFFAOYSA-N
MW767.12 g/mol
LogP10.96
Rot. Bonds6

About CID 11767879

CID 11767879 (PubChem CID 11767879) has the molecular formula C32H59NOSi4Ta and a molecular weight of 767.12 g/mol.

Molecular Properties

Compound NameCID 11767879
PubChem CID11767879
Molecular FormulaC32H59NOSi4Ta
Molecular Weight767.12 g/mol
Exact Mass766.32
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N=[Ta].C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.[C-]#[O+]
InChIInChI=1S/C12H17N.C10H15.C9H27Si4.CO.Ta/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-6-7(2)9(4)10(5)8(6)3;1-11(2,3)10(12(4,5)6)13(7,8)9;1-2;/h5-9H,1-4H3;1-5H3;1-9H3;;
InChIKeySIDXHOYCCNTNHU-UHFFFAOYSA-N
XLogP10.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.12
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 11039200
CID 11039200
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
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N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
ethane;(2-methyl-6-propan-2-ylphenyl)iminonickel;pyrimidine
CID 87910252
carbon monoxide;bis([2,6-di(propan-2-yl)phenyl]-[[2,6-di(propan-2-yl)phenyl]iminomethyl]azanide);manganese;oxolane;toluene;ytterbium
CID 139189759
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
CID 20719131
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
CID 136753152
CID 136753152
bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
CID 139074965

Frequently Asked Questions

What is the IUPAC name of CID 11767879?
The IUPAC name of CID 11767879 (CID 11767879) is not available.
What is the SMILES notation for CID 11767879?
The canonical SMILES for CID 11767879 is CC(C)c1cccc(C(C)C)c1N=[Ta].C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.[C-]#[O+].
What is the InChIKey of CID 11767879?
The InChIKey is SIDXHOYCCNTNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C10H15.C9H27Si4.CO.Ta/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-6-7(2)9(4)10(5)8(6)3;1-11(2,3)10(12(4,5)6)13(7,8)9;1-2;/h5-9H,1-4H3;1-5H3;1-9H3;;.
What are the key properties of CID 11767879?
CID 11767879 has a molecular weight of 767.12 g/mol, XLogP of 10.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11767879 is sourced from PubChem (CID 11767879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).